Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL807446 | 0.79 | GABRA1 (0.54) | TSHRGABRA1GABRB2CYP1A2HPGD | |
| SCHEMBL19058565 | 0.78 | TSHR (0.48) | TSHRGABRA1GABRB2HTTRORC | |
| SCHEMBL26081362 | 0.78 | TSHR (0.48) | TSHRGABRA1GABRB2HTTRORC | |
| SCHEMBL10134256 | 0.78 | TSHR (0.48) | TSHRGABRA1GABRB2HTTNISCH | |
| SCHEMBL12139672 | 0.78 | TSHR (0.48) | TSHRGABRA1GABRB2HTTNISCH | |
| Hydrochloric Acid SCHEMBL16178692 | 0.78 | GABRA1 (0.52) | TSHRGABRA1GABRB2CYP1A2HPGD | |
| SCHEMBL23565852 | 0.77 | TSHR (0.47) | TSHRGABRA1GABRB2HTTRORC | |
| SCHEMBL12891842 | 0.77 | TSHR (0.47) | TSHRGABRA1GABRB2HTTRORC | |
| SCHEMBL22768184 | 0.77 | TSHR (0.47) | TSHRGABRA1GABRB2HTTRORC | |
| SCHEMBL21536891 | 0.77 | TSHR (0.47) | TSHRGABRA1GABRB2HTTNISCH |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024038282-A1 | 2-AZA- AND 2-OXABICYCLO[2.1.1]HEXANE DERIVATIVES AS FACTOR XIIA ENZYME INHIBITORS | KALVISTA PHARMACEUTICALS LIMITED (GB) | 2024-02-22 | — | — | WO | disclosed |